Chemical ID: 5789206

COc1ccccc1c2cc(=O)c3c4ccccc4ccc3o2
Chemical ID:
5789206
Name [?]:
None
SMILES [?]:
COc1ccccc1c2cc(=O)c3c4ccccc4ccc3o2
InChi [?]:
InChI=1/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,6,5,18,15,7,4,20,21,10,19,14,8,11,3,22,9,13,12,2,23/rA:23nCOCCCCCCCCCOCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s9s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.11409
Area:476.963
Solvation:-3.80997
Coulombic:-25.2409
Bond Count [?]
All:26
Single:16
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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